2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine

C8H6ClN3OS — CID 12870888

IUPAC2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Cl)nc(-c2ccco2)n1
InChIInChI=1S/C8H6ClN3OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h2-4H,1H3
InChIKeyLWGFGYBIZCXGLB-UHFFFAOYSA-N
MW227.68 g/mol
LogP2.51
Rot. Bonds2

About 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine

2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine (PubChem CID 12870888) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
PubChem CID12870888
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine
SMILESCSc1nc(Cl)nc(-c2ccco2)n1
InChIInChI=1S/C8H6ClN3OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h2-4H,1H3
InChIKeyLWGFGYBIZCXGLB-UHFFFAOYSA-N
XLogP2.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_pyridine_A(1)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(furan-2-yl)pyrimidin-4-amine
CID 66520852
4,5,6-trifluoro-2-(furan-2-yl)pyrimidine
CID 164652179
3-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-1-methylindole
CID 166917687
5-chloro-3-(furan-2-yl)-1,2,4-thiadiazole
CID 54258007
3-(furan-2-yl)-1,5-bis(methylsulfanyl)-1,2,4-triazole
CID 175630714
4-chloro-6-ethyl-2-(furan-2-yl)pyrimidine
CID 43557912
4,6-difluoro-2-(furan-2-yl)-5-iodopyrimidine
CID 164652077
4-[4-(furan-2-yl)phenyl]-2-methylsulfanylpyrimidine
CID 168527070
4-chloro-6-(furan-2-ylmethylsulfanyl)-2-methylsulfanylpyrimidine
CID 80545886
4-chloro-2-(furan-2-yl)thieno[3,2-d]pyrimidine
CID 119089879
4-(furan-2-yl)-6-methylsulfanylpyridin-2-amine
CID 141045638
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine (CID 12870888) is 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine is CSc1nc(Cl)nc(-c2ccco2)n1.
What is the InChIKey of 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine?
The InChIKey is LWGFGYBIZCXGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c1-14-8-11-6(10-7(9)12-8)5-3-2-4-13-5/h2-4H,1H3.
What are the key properties of 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine?
2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine has a molecular weight of 227.68 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(furan-2-yl)-6-methylsulfanyl-1,3,5-triazine is sourced from PubChem (CID 12870888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).